[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

C98H87F4N28O5+ — CID 160730438

About [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol

[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (PubChem CID 160730438) has the molecular formula C98H87F4N28O5+ and a molecular weight of 1812.96 g/mol. Its IUPAC name is [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

Molecular Properties

• Compound Name: [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• PubChem CID: 160730438
• Molecular Formula: C98H87F4N28O5+
• Molecular Weight: 1812.96 g/mol
• Exact Mass: 1811.73
• IUPAC Name: [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol
• SMILES: CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1nc2ccccc2[nH]1.Cc1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c[nH][n+]1C.Cc1n[nH]c(C)c1C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.Cc1nnc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)o1
• InChI: InChI=1S/C27H22FN7O.C25H24FN7O.C24H22FN7O.C22H18FN7O2/c1-16(26-31-20-4-2-3-5-21(20)32-26)30-27-29-12-10-22(33-27)25-24(18-6-8-19(28)9-7-18)34-23-14-17(15-36)11-13-35(23)25;1-14(22-15(2)31-32-16(22)3)28-25-27-10-8-20(29-25)24-23(18-4-6-19(26)7-5-18)30-21-12-17(13-34)9-11-33(21)24;1-15-18(13-28-31(15)2)12-27-24-26-9-7-20(29-24)23-22(17-3-5-19(25)6-4-17)30-21-11-16(14-33)8-10-32(21)23;1-13-28-29-19(32-13)11-25-22-24-8-6-17(26-22)21-20(15-2-4-16(23)5-3-15)27-18-10-14(12-31)7-9-30(18)21/h2-14,16,36H,15H2,1H3,(H,31,32)(H,29,30,33);4-12,14,34H,13H2,1-3H3,(H,31,32)(H,27,28,29);3-11,13,33H,12,14H2,1-2H3,(H,26,27,29);2-10,31H,11-12H2,1H3,(H,24,25,26)/p+1
• InChIKey: MPBYKTBYOMZUSB-UHFFFAOYSA-O
• XLogP: 16.30
• TPSA: 417.31 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1812.96
LogP ≤ 5	16.30
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The IUPAC name of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol (CID 160730438) is [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol.

What is the SMILES notation for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The canonical SMILES for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is CC(Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1)c1nc2ccccc2[nH]1.Cc1c(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)c[nH][n+]1C.Cc1n[nH]c(C)c1C(C)Nc1nccc(-c2c(-c3ccc(F)cc3)nc3cc(CO)ccn23)n1.Cc1nnc(CNc2nccc(-c3c(-c4ccc(F)cc4)nc4cc(CO)ccn34)n2)o1.

What is the InChIKey of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

The InChIKey is MPBYKTBYOMZUSB-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H22FN7O.C25H24FN7O.C24H22FN7O.C22H18FN7O2/c1-16(26-31-20-4-2-3-5-21(20)32-26)30-27-29-12-10-22(33-27)25-24(18-6-8-19(28)9-7-18)34-23-14-17(15-36)11-13-35(23)25;1-14(22-15(2)31-32-16(22)3)28-25-27-10-8-20(29-25)24-23(18-4-6-19(26)7-5-18)30-21-12-17(13-34)9-11-33(21)24;1-15-18(13-28-31(15)2)12-27-24-26-9-7-20(29-24)23-22(17-3-5-19(25)6-4-17)30-21-11-16(14-33)8-10-32(21)23;1-13-28-29-19(32-13)11-25-22-24-8-6-17(26-22)21-20(15-2-4-16(23)5-3-15)27-18-10-14(12-31)7-9-30(18)21/h2-14,16,36H,15H2,1H3,(H,31,32)(H,29,30,33);4-12,14,34H,13H2,1-3H3,(H,31,32)(H,27,28,29);3-11,13,33H,12,14H2,1-2H3,(H,26,27,29);2-10,31H,11-12H2,1H3,(H,24,25,26)/p+1.

What are the key properties of [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol?

[3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol has a molecular weight of 1812.96 g/mol, XLogP of 16.30, 24 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-[1-(1H-benzimidazol-2-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[(2,3-dimethyl-1H-pyrazol-2-ium-4-yl)methylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[3-[2-[1-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]pyrimidin-4-yl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol;[2-(4-fluorophenyl)-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methanol is sourced from PubChem (CID 160730438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).